REMARK  Name = BDB037184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.188   1.780  -0.549  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.477   1.671  -1.271  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.849   1.446   0.768  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.646   1.353   1.688  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.616   1.193   0.943  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.372   1.212  -0.192  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.689   0.967  -0.056  0.00  0.00    +0.229 A 
ATOM      8  C   LIG    1        3.306   0.734   1.173  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        2.495   0.713   2.317  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.129   0.945   2.206  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.489   0.976  -1.170  0.00  0.00    -0.388 OA
BRANCH  11  12
ATOM     12  C   LIG    1        2.770   0.988  -2.390  0.00  0.00    +0.576 C 
ATOM     13  F   LIG    1        1.942  -0.073  -2.496  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1        2.083   2.138  -2.556  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1        3.672   0.902  -3.398  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH   8  16
ATOM     16  C   LIG    1        4.783   0.461   1.286  0.00  0.00    +0.184 C 
BRANCH  16  17
ATOM     17  N   LIG    1        5.072  -0.953   1.100  0.00  0.00    -0.267 N 
ATOM     18  N   LIG    1        4.911  -1.814   2.127  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        5.269  -2.992   1.611  0.00  0.00    +0.134 A 
ATOM     20  C   LIG    1        5.670  -2.889   0.267  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        5.539  -1.554  -0.035  0.00  0.00    +0.108 A 
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  S   LIG    1       -2.733   1.937  -1.130  0.00  0.00    +0.082 S 
ATOM     23  O   LIG    1       -2.616   1.976  -2.575  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.327   3.046  -0.414  0.00  0.00    -0.150 OA
BRANCH  22  26
ATOM     25  C   LIG    1       -4.770   0.368  -0.100  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.516   0.406  -0.715  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -2.870  -0.801  -1.025  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -3.450  -2.026  -0.677  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.703  -2.056  -0.070  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -5.367  -0.862   0.203  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -5.464   1.855   1.516  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -5.503   1.499   0.131  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
BRANCH  27  33
ATOM     33  O   LIG    1       -1.627  -0.808  -1.605  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -1.694  -1.272  -2.956  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 9